SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mel'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_A_CHDA130_1
(FATTY ACID-BINDING
PROTEIN)		 3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN
(Enterococcus
faecalis) 		3 / 3 TYR A 139
ARG A 120
GLN A  81
 None
 0.93A 1tw4A-3melA:
undetectable		 1tw4A-3melA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN
(Enterococcus
faecalis) 		3 / 3 ASP A  24
TYR A  23
GLU A  95
 None
 0.74A 1vm1A-3melA:
undetectable		 1vm1A-3melA:
23.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN
(Enterococcus
faecalis) 		4 / 7 TYR A 174
LEU A 176
SER A 189
ASN A 190
 None
 0.54A 3lm8A-3melA:
24.7
3lm8C-3melA:
24.2		 3lm8A-3melA:
38.16
3lm8C-3melA:
38.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN
(Enterococcus
faecalis) 		4 / 7 TYR A 174
LEU A 176
SER A 189
ASN A 190
 None
 0.50A 3lm8B-3melA:
24.6
3lm8D-3melA:
24.0		 3lm8B-3melA:
38.16
3lm8D-3melA:
38.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN
(Enterococcus
faecalis) 		4 / 8 TYR A 174
LEU A 176
SER A 189
ASN A 190
 None
 0.70A 3lm8A-3melA:
24.7
3lm8C-3melA:
24.2		 3lm8A-3melA:
38.16
3lm8C-3melA:
38.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_D_VIBD223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN
(Enterococcus
faecalis) 		4 / 8 TYR A 174
LEU A 176
SER A 189
ASN A 190
 None
 0.54A 3lm8B-3melA:
24.6
3lm8D-3melA:
24.0		 3lm8B-3melA:
38.16
3lm8D-3melA:
38.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN
(Enterococcus
faecalis) 		5 / 12 PHE A 201
CYH A 160
ILE A 209
LEU A 176
PHE A 199
 None
 1.09A 3vn2A-3melA:
undetectable		 3vn2A-3melA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN
(Enterococcus
faecalis) 		4 / 7 ILE A  99
HIS A  35
LEU A  36
ALA A  39
 None
 0.94A 5hrqE-3melA:
undetectable
5hrqF-3melA:
undetectable
5hrqJ-3melA:
undetectable		 5hrqE-3melA:
9.20
5hrqF-3melA:
12.50
5hrqJ-3melA:
12.50